Ab initio configuration interaction calc
Ab initio configuration interaction calculations of the NIs (NO2) core-hole states of p-nitroaniline
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P.C. Ford; I.H. Hillier
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Article
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1982
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Elsevier Science
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English
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The N Is (NOI) core-hole states of p-mtromlne are caiculacd by a CI procedure rhat rakes account of both orlmsl rcl~xat~on and corrclatlon effects A utelhte peak ammg from the ewlwtion Ibl(n) -Sbl(n) IS calcul3wd IO occur 2 6 cV from the mam lonrrauon peak. with a rclatwc mtcnsity of 66%. These resu